1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C15H23ClN2O2 — CID 3072982

IUPAC1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1c[nH]c2cccc(OCC(O)CNC(C)C)c12.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10(2)16-8-12(18)9-19-14-6-4-5-13-15(14)11(3)7-17-13;/h4-7,10,12,16-18H,8-9H2,1-3H3;1H
InChIKeyFJGIMYDHRQFCER-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.64
Rot. Bonds6

About 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 3072982) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID3072982
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1c[nH]c2cccc(OCC(O)CNC(C)C)c12.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10(2)16-8-12(18)9-19-14-6-4-5-13-15(14)11(3)7-17-13;/h4-7,10,12,16-18H,8-9H2,1-3H3;1H
InChIKeyFJGIMYDHRQFCER-UHFFFAOYSA-N
XLogP2.64
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
CID 154090543
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[tert-butyl-[(4-chlorophenyl)methyl]amino]-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 23939630
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
CID 154122806
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 3072982) is 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1c[nH]c2cccc(OCC(O)CNC(C)C)c12.Cl.
What is the InChIKey of 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is FJGIMYDHRQFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10(2)16-8-12(18)9-19-14-6-4-5-13-15(14)11(3)7-17-13;/h4-7,10,12,16-18H,8-9H2,1-3H3;1H.
What are the key properties of 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 3072982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).